C803-0330 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}prop-2-enamide

C803-0330 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}prop-2-enamide
C803-0330 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C803-0330
(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}prop-2-enamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C803-0330

Molecular Formula

C23H21N3O4 (C23 H21 N3 O4)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}prop-2-enamide

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}prop-2-enamide

SMILES

O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O

InChI

InChI=1S/C23H21N3O4/c27-22(10-6-15-5-9-19-20(12-15)30-14-29-19)24-16-7-8-18-17(13-16)23(28)26-11-3-1-2-4-21(26)25-18/h5-10,12-13H,1-4,11,14H2,(H,24,27)

InChI Key

FLFWKCRBWVRWCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.84

Polar Surface Area

66.713

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C803-0330 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C803-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C803-0330?
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What is the minimum amount of C803-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C803-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C803-0330
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C803-0330 available by request